UCSF

ZINC12547699

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 25 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 10.58 -22.45 3 6 0 81 346.419 2
Mid Mid (pH 6-8) 3.52 11.07 -37.87 4 6 1 83 347.427 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )